CID 43811066

1073354-96-7

Structural Information

Molecular Formula

C₁₁H₁₆BClN₂O₂

SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(N=C2)Cl)N

InChI

InChI=1S/C11H16BClN2O2/c1-10(2)11(3,4)17-12(16-10)7-5-8(14)9(13)15-6-7/h5-6H,14H2,1-4H3

InChIKey

OTPWQANCPKJXBK-UHFFFAOYSA-N

Compound name

2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 68
Patents: 254.09933 Da
Monoisotopic Mass: None
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	255.106606	151.8
[M+Na]+	277.088548	162.8
[M-H]-	253.092054	159.0
[M+NH4]+	272.133153	171.8
[M+K]+	293.062488	161.1
[M+H-H2O]+	237.096590	147.2
[M+HCOO]-	299.097531	167.9
[M+CH3COO]-	313.113181	194.8
[M+Na-2H]-	275.073996	156.9
[M]+	254.09878142	155.3
[M]-	254.09987858	155.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe